2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid

C18H14N2O4S — CID 67684970

IUPAC2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1ccoc1)n2Cc1nc(C(=O)O)cs1
InChIInChI=1S/C18H14N2O4S/c1-23-13-2-3-15-12(6-13)7-16(11-4-5-24-9-11)20(15)8-17-19-14(10-25-17)18(21)22/h2-7,9-10H,8H2,1H3,(H,21,22)
InChIKeyZNNFHSJYPSKHPN-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.11
Rot. Bonds5

About 2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid

2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 67684970) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID67684970
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1ccoc1)n2Cc1nc(C(=O)O)cs1
InChIInChI=1S/C18H14N2O4S/c1-23-13-2-3-15-12(6-13)7-16(11-4-5-24-9-11)20(15)8-17-19-14(10-25-17)18(21)22/h2-7,9-10H,8H2,1H3,(H,21,22)
InChIKeyZNNFHSJYPSKHPN-UHFFFAOYSA-N
XLogP4.11
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid (CID 67684970) is 2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid is COc1ccc2c(c1)cc(-c1ccoc1)n2Cc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZNNFHSJYPSKHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c1-23-13-2-3-15-12(6-13)7-16(11-4-5-24-9-11)20(15)8-17-19-14(10-25-17)18(21)22/h2-7,9-10H,8H2,1H3,(H,21,22).
What are the key properties of 2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 354.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 67684970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).